smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000003017610	194207624	/nfs/dbraw/zinc/20/76/24/194207624.db2.gz	IECBSXRDPZUGTE-UHFFFAOYSA-N	-1	0	489.937	4.927	50	5		JJBARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(Cl)cc2Cl)cc1	ZINC000016115248	524687045	/nfs/dbraw/zinc/68/70/45/524687045.db2.gz	YLQOYJSIZUCJSB-UHFFFAOYSA-N	-1	0	496.328	4.963	50	5		JJBARM
O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)ccc1Cl	ZINC000001866243	553999205	/nfs/dbraw/zinc/99/92/05/553999205.db2.gz	AECDDBPUTMBVTN-UHFFFAOYSA-N	-1	0	461.912	4.797	50	5		JJBARM
Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002731386	554315505	/nfs/dbraw/zinc/31/55/05/554315505.db2.gz	BUWLCIJUZINXEV-LBPRGKRZSA-N	-1	0	476.925	4.650	50	5		JJBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2OC(F)F)c1	ZINC000008951411	554834208	/nfs/dbraw/zinc/83/42/08/554834208.db2.gz	OBYCPLWKXIPUQG-UHFFFAOYSA-N	-1	0	487.444	4.684	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)[C@@H]1CCC	ZINC000009015685	554865922	/nfs/dbraw/zinc/86/59/22/554865922.db2.gz	QTRGXRJXNDGICW-BKMJKUGQSA-N	-1	0	478.549	4.708	50	5		JJBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2cccc3ccccc32)[nH]1	ZINC000009235284	555009127	/nfs/dbraw/zinc/00/91/27/555009127.db2.gz	UGALBRWHQMXTTC-CSKARUKUSA-N	-1	0	494.301	4.637	50	5		JJBARM
CCOc1cc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OCC)c1OCC	ZINC000009274817	555047541	/nfs/dbraw/zinc/04/75/41/555047541.db2.gz	WJTXDRVOSROIQN-UHFFFAOYSA-N	-1	0	476.873	4.747	50	5		JJBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1	ZINC000022854777	555961576	/nfs/dbraw/zinc/96/15/76/555961576.db2.gz	PWDZXEJUNFYDIV-HXUWFJFHSA-N	-1	0	498.996	4.532	50	5		JJBARM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000015974151	556097333	/nfs/dbraw/zinc/09/73/33/556097333.db2.gz	SNKFEHHUNLAZGK-JOCHJYFZSA-N	-1	0	458.430	4.504	50	5	aggregator	JJBARM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000035132479	569675550	/nfs/dbraw/zinc/67/55/50/569675550.db2.gz	GWJVIADYVQTXQI-FRKPEAEDSA-N	-1	0	452.847	4.728	50	5		JJBARM
O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c32)C(=O)N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000095470958	569723275	/nfs/dbraw/zinc/72/32/75/569723275.db2.gz	YNPLATXTQCFETQ-UHFFFAOYSA-N	-1	0	471.381	4.955	50	5		JJBARM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccccc1	ZINC000229997850	570043178	/nfs/dbraw/zinc/04/31/78/570043178.db2.gz	RYAHVHBGHKSZTJ-ZEZDXWPOSA-N	-1	0	491.503	4.968	50	5		JJBARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000230001852	570043376	/nfs/dbraw/zinc/04/33/76/570043376.db2.gz	XDGUDTSUVLEHAK-ISJGIBHGSA-N	-1	0	465.465	4.799	50	5		JJBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)n1	ZINC000001637100	194129996	/nfs/dbraw/zinc/12/99/96/194129996.db2.gz	JZORTXZNIMHWFA-UHFFFAOYSA-N	-1	0	482.547	4.670	50	5		JJBARM
COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000035201092	521954133	/nfs/dbraw/zinc/95/41/33/521954133.db2.gz	OOEOISBCHINLQE-VIZOYTHASA-N	-1	0	455.275	4.852	50	5		JJBARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@@](CCc2ccncc2)(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000016293668	525220926	/nfs/dbraw/zinc/22/09/26/525220926.db2.gz	ITAFIELWQRRAIS-RUZDIDTESA-N	-1	0	458.474	4.583	50	5		JJBARM
Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730980	554315005	/nfs/dbraw/zinc/31/50/05/554315005.db2.gz	DVHMZZVEMMCUDA-ZDUSSCGKSA-N	-1	0	458.935	4.511	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)[C@@H]1CCC	ZINC000009009870	554863484	/nfs/dbraw/zinc/86/34/84/554863484.db2.gz	NFBWHXRHXJKGAQ-BKMJKUGQSA-N	-1	0	478.549	4.708	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)[C@@H]1CCC	ZINC000009009871	554863528	/nfs/dbraw/zinc/86/35/28/554863528.db2.gz	NFBWHXRHXJKGAQ-NVQXNPDNSA-N	-1	0	478.549	4.708	50	5		JJBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Cl)c1	ZINC000009144983	554937160	/nfs/dbraw/zinc/93/71/60/554937160.db2.gz	CONXDDHWDWBIKF-UHFFFAOYSA-N	-1	0	455.883	4.736	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1CCC	ZINC000009452826	555224576	/nfs/dbraw/zinc/22/45/76/555224576.db2.gz	AEFDHDCVJCRGQK-HOFKKMOUSA-N	-1	0	492.576	4.812	50	5		JJBARM
O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000027472653	556279786	/nfs/dbraw/zinc/27/97/86/556279786.db2.gz	DKKWOVXSYKBIMU-UHFFFAOYSA-N	-1	0	466.302	4.955	50	5		JJBARM
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc2[n-]cnn2c(=O)c1[N+](=O)[O-]	ZINC000008723260	569599127	/nfs/dbraw/zinc/59/91/27/569599127.db2.gz	HRNBWLWZQMEDFS-HWKANZROSA-N	-1	0	461.522	4.775	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)[O-]	ZINC000035023489	569673837	/nfs/dbraw/zinc/67/38/37/569673837.db2.gz	STBDFWORRHYEAL-JMLJLYKJSA-N	-1	0	472.497	4.996	50	5		JJBARM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3s2)cc1	ZINC000003064983	554425075	/nfs/dbraw/zinc/42/50/75/554425075.db2.gz	LXMFKYSCTDNURF-UHFFFAOYSA-N	-1	0	468.516	4.566	50	5		JJBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008974176	554845551	/nfs/dbraw/zinc/84/55/51/554845551.db2.gz	MZWGTVWFVAWHQR-CJFMBICVSA-N	-1	0	462.506	4.545	50	5		JJBARM
O=C(Nc1ccc(F)cc1F)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009096961	554895557	/nfs/dbraw/zinc/89/55/57/554895557.db2.gz	YDSDPQFCIQFUPP-UHFFFAOYSA-N	-1	0	467.837	4.580	50	5		JJBARM
CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000009311953	555088529	/nfs/dbraw/zinc/08/85/29/555088529.db2.gz	ZFMWFUYXJHHUAG-MDZDMXLPSA-N	-1	0	495.561	4.875	50	5		JJBARM
CSc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000009335495	555102912	/nfs/dbraw/zinc/10/29/12/555102912.db2.gz	WWTARPOZAJYZNQ-UHFFFAOYSA-N	-1	0	457.533	4.678	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1Cl	ZINC000009509232	555296743	/nfs/dbraw/zinc/29/67/43/555296743.db2.gz	HBSYKCISRUCQBY-UHFFFAOYSA-N	-1	0	481.958	4.510	50	5		JJBARM
CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1c1ccccc1	ZINC000009510905	555300350	/nfs/dbraw/zinc/30/03/50/555300350.db2.gz	PNYRIVWWRCNSJU-RBJSKKJNSA-N	-1	0	498.539	4.605	50	5		JJBARM
COc1ccc(Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1OC	ZINC000009633006	555335340	/nfs/dbraw/zinc/33/53/40/555335340.db2.gz	ZOTJFVPRFPNEHP-UHFFFAOYSA-N	-1	0	495.460	4.758	50	5		JJBARM
CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000009714838	555445359	/nfs/dbraw/zinc/44/53/59/555445359.db2.gz	VQDPASUUVWTUCA-UHFFFAOYSA-N	-1	0	498.561	4.503	50	5		JJBARM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212988	555706844	/nfs/dbraw/zinc/70/68/44/555706844.db2.gz	OPYHJFHPOYWFBC-QFIPXVFZSA-N	-1	0	458.430	4.504	50	5		JJBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1cc2cc(Br)cc(Br)c2o1	ZINC000015906455	556063658	/nfs/dbraw/zinc/06/36/58/556063658.db2.gz	DPLLQWDTFJSYHT-UHFFFAOYSA-N	-1	0	456.046	4.824	50	5		JJBARM
CCN(Cc1ccccc1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000024203758	556126923	/nfs/dbraw/zinc/12/69/23/556126923.db2.gz	NCVCHKFJEUWQAE-UHFFFAOYSA-N	-1	0	477.546	4.674	50	5		JJBARM
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1C(C)C	ZINC000017028253	556207376	/nfs/dbraw/zinc/20/73/76/556207376.db2.gz	QABPEIJJCONUHH-BWKNWUBXSA-N	-1	0	464.522	4.748	50	5		JJBARM
C[C@@H](c1ccco1)N(C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1	ZINC000008685631	562952536	/nfs/dbraw/zinc/95/25/36/562952536.db2.gz	GMMMFKVWWVXRSJ-KRWDZBQOSA-N	-1	0	492.513	4.792	50	5		JJBARM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccc([N+](=O)[O-])cc1	ZINC000102087821	569809581	/nfs/dbraw/zinc/80/95/81/569809581.db2.gz	XRYDYBKKKRWOKG-UWPQIUOOSA-N	-1	0	491.503	4.968	50	5		JJBARM
CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	ZINC000245245558	570059057	/nfs/dbraw/zinc/05/90/57/570059057.db2.gz	DDQWRVUFIHYGNV-UBFVSLLYSA-N	-1	0	487.512	4.825	50	5		JJBARM
Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)no1	ZINC000006088855	525287328	/nfs/dbraw/zinc/28/73/28/525287328.db2.gz	BQXJAMBDPSLSPA-UHFFFAOYSA-N	-1	0	457.493	4.559	50	5		JJBARM
C[C@@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000022575357	525988424	/nfs/dbraw/zinc/98/84/24/525988424.db2.gz	JQCZTZXFADVXJX-CQSZACIVSA-N	-1	0	465.487	4.665	50	5		JJBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1	ZINC000002352636	554162484	/nfs/dbraw/zinc/16/24/84/554162484.db2.gz	PXEVLYNYEGANIU-UHFFFAOYSA-N	-1	0	455.883	4.736	50	5		JJBARM
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746264	554324103	/nfs/dbraw/zinc/32/41/03/554324103.db2.gz	YGJLXGZSLPRMFM-QHCPKHFHSA-N	-1	0	454.442	4.741	50	5		JJBARM
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002767162	554334118	/nfs/dbraw/zinc/33/41/18/554334118.db2.gz	FMDJVYATVSKKOJ-UHFFFAOYSA-N	-1	0	455.323	4.564	50	5		JJBARM
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1cccc(Cl)c1)C2=O	ZINC000008971007	554843789	/nfs/dbraw/zinc/84/37/89/554843789.db2.gz	NADLGOPYIYUZPN-PGRDOPGGSA-N	-1	0	456.886	4.519	50	5		JJBARM
COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000009540101	555332646	/nfs/dbraw/zinc/33/26/46/555332646.db2.gz	JMKGQLROMAQDLU-AWNIVKPZSA-N	-1	0	487.921	4.710	50	5		JJBARM
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000016995462	556198979	/nfs/dbraw/zinc/19/89/79/556198979.db2.gz	VIIUZRFDNPKPBJ-JGPAKYNOSA-N	-1	0	468.897	4.519	50	5		JJBARM
O=c1[nH]c(C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000017112606	556217663	/nfs/dbraw/zinc/21/76/63/556217663.db2.gz	VACKMYIHWDTYBD-SOFGYWHQSA-N	-1	0	478.686	4.549	50	5		JJBARM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccccc1	ZINC000102705873	569816449	/nfs/dbraw/zinc/81/64/49/569816449.db2.gz	RYAHVHBGHKSZTJ-ALTZYDRJSA-N	-1	0	491.503	4.968	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)[C@H]1CCC	ZINC000102771950	569823494	/nfs/dbraw/zinc/82/34/94/569823494.db2.gz	NFBWHXRHXJKGAQ-ATIYNZHBSA-N	-1	0	478.549	4.504	50	5		JJBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000230047440	570044144	/nfs/dbraw/zinc/04/41/44/570044144.db2.gz	GRLANHLPWDMAJR-WMZHIEFXSA-N	-1	0	468.897	4.663	50	5		JJBARM
COc1ccc(NS(=O)(=O)c2ccc3oc([N-]c4nc5ccc([N+](=O)[O-])cc5s4)nc3c2)cc1	ZINC000003347589	194294124	/nfs/dbraw/zinc/29/41/24/194294124.db2.gz	FDVHTVOVWNQZNY-UHFFFAOYSA-N	-1	0	497.514	4.899	50	5		JJBARM
CCOc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCCn1c(C)ncc1[N+](=O)[O-]	ZINC000008778562	520620330	/nfs/dbraw/zinc/62/03/30/520620330.db2.gz	XPRNGGKFDZAIJM-CSKARUKUSA-N	-1	0	488.500	4.994	50	5		JJBARM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)cc1C	ZINC000016212872	525296161	/nfs/dbraw/zinc/29/61/61/525296161.db2.gz	YNHAPUOUZOLUKT-UHFFFAOYSA-N	-1	0	459.911	4.918	50	5		JJBARM
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000012372260	526841939	/nfs/dbraw/zinc/84/19/39/526841939.db2.gz	INKFKGQOLPPSKY-HNNXBMFYSA-N	-1	0	464.261	4.811	50	5		JJBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000016115451	527437095	/nfs/dbraw/zinc/43/70/95/527437095.db2.gz	YBKIIZMDHNBNFG-UHFFFAOYSA-N	-1	0	466.302	4.955	50	5		JJBARM
Cc1ccc(-c2[nH]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751174	554326413	/nfs/dbraw/zinc/32/64/13/554326413.db2.gz	ONJNAIYRFSGJRO-QHCPKHFHSA-N	-1	0	454.442	4.741	50	5		JJBARM
CCN(CC)c1ccc2cc(-c3nnc([N-]c4cc([N+](=O)[O-])ccc4F)s3)c(=O)oc2c1	ZINC000002956104	554412861	/nfs/dbraw/zinc/41/28/61/554412861.db2.gz	AISZKEMTPAZMKM-UHFFFAOYSA-N	-1	0	455.471	4.949	50	5	biogenic	JJBARM
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(OC)c(OC)c3C(=O)[O-])C2)cc1	ZINC000006924885	554562226	/nfs/dbraw/zinc/56/22/26/554562226.db2.gz	NNXSVNJRGYRROP-NRFANRHFSA-N	-1	0	477.473	4.675	50	5		JJBARM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Oc1cc(F)ccc1[N+](=O)[O-]	ZINC000009130209	554929288	/nfs/dbraw/zinc/92/92/88/554929288.db2.gz	GCDRIEBBCTXWSN-UHFFFAOYSA-N	-1	0	454.439	4.579	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)[C@@H]1CCC	ZINC000009446743	555219899	/nfs/dbraw/zinc/21/98/99/555219899.db2.gz	SGWKIXWUNBOLGB-SQJMNOBHSA-N	-1	0	498.967	4.849	50	5		JJBARM
COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1[O-]	ZINC000019843152	555509548	/nfs/dbraw/zinc/50/95/48/555509548.db2.gz	MPHGOCBNRDVBTO-JOCHJYFZSA-N	-1	0	489.513	4.956	50	5		JJBARM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000013647284	555551718	/nfs/dbraw/zinc/55/17/18/555551718.db2.gz	RYAHVHBGHKSZTJ-QXTIUPHPSA-N	-1	0	491.503	4.968	50	5		JJBARM
COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)cc1Br	ZINC000020135872	555660297	/nfs/dbraw/zinc/66/02/97/555660297.db2.gz	GSRXDCPUYJYFMA-UHFFFAOYSA-N	-1	0	469.251	4.669	50	5		JJBARM
O=C1C([O-])=C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1	ZINC000024192969	556126072	/nfs/dbraw/zinc/12/60/72/556126072.db2.gz	IRPLXDUXCHFVBI-LJQANCHMSA-N	-1	0	488.880	4.719	50	5		JJBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@H]3C(C)C)C2=O)cc1	ZINC000033821857	569635740	/nfs/dbraw/zinc/63/57/40/569635740.db2.gz	RZBDQFIMCYYPGM-NVQXNPDNSA-N	-1	0	494.548	4.756	50	5		JJBARM
O=C(Nc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036445136	569775944	/nfs/dbraw/zinc/77/59/44/569775944.db2.gz	OTZTYLOQOBQCND-UHFFFAOYSA-N	-1	0	463.471	4.507	50	5		JJBARM
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)nc21	ZINC000003200807	194238131	/nfs/dbraw/zinc/23/81/31/194238131.db2.gz	YTYSVGDGGATVIX-UHFFFAOYSA-N	-1	0	498.542	4.575	50	5		JJBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000003200694	194238149	/nfs/dbraw/zinc/23/81/49/194238149.db2.gz	NSANSAUJMJYFGT-UHFFFAOYSA-N	-1	0	468.516	4.566	50	5		JJBARM
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000003620702	194341944	/nfs/dbraw/zinc/34/19/44/194341944.db2.gz	SKDLEURRFWFESY-UHFFFAOYSA-N	-1	0	454.504	4.817	50	5		JJBARM
COc1ccc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C(C)C)cc1OCC(=O)[O-]	ZINC000079492283	523081694	/nfs/dbraw/zinc/08/16/94/523081694.db2.gz	LXNSHVVAVRXWBF-UHFFFAOYSA-N	-1	0	477.473	4.770	50	5		JJBARM
COc1ccc(NC2=C(CC(=O)[O-])[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000002360447	524675944	/nfs/dbraw/zinc/67/59/44/524675944.db2.gz	VGVHDIAQCFSRSU-VWLOTQADSA-N	-1	0	489.484	4.541	50	5		JJBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1	ZINC000006142085	527394394	/nfs/dbraw/zinc/39/43/94/527394394.db2.gz	RQGZPPGZPHXWIP-UHFFFAOYSA-N	-1	0	455.883	4.736	50	5		JJBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)[N-]c2ccccc2)c(Cl)cc1Cl	ZINC000016115348	527436486	/nfs/dbraw/zinc/43/64/86/527436486.db2.gz	QJZGZWCTQRJSAV-UHFFFAOYSA-N	-1	0	466.302	4.955	50	5		JJBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974645	554846048	/nfs/dbraw/zinc/84/60/48/554846048.db2.gz	GRLANHLPWDMAJR-XXBNENTESA-N	-1	0	468.897	4.663	50	5		JJBARM
O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCc3ccccc3C2)cc1	ZINC000023666899	556082732	/nfs/dbraw/zinc/08/27/32/556082732.db2.gz	LWLHJWAHCNAFLN-HXUWFJFHSA-N	-1	0	473.514	4.812	50	5		JJBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1	ZINC000016956927	556187615	/nfs/dbraw/zinc/18/76/15/556187615.db2.gz	LVGUGHMMFOGLPS-NVQXNPDNSA-N	-1	0	470.485	4.747	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)[C@H]1CCC	ZINC000016975259	556193560	/nfs/dbraw/zinc/19/35/60/556193560.db2.gz	BNPAIHBRPUINEB-GJZUVCINSA-N	-1	0	478.549	4.708	50	5		JJBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@H]1c1ccccc1	ZINC000016976237	556193936	/nfs/dbraw/zinc/19/39/36/556193936.db2.gz	XLJRKLBIWWKJAI-BWKNWUBXSA-N	-1	0	474.448	4.577	50	5		JJBARM
COc1ccc(Cc2[n-]n3c(nc(-c4ccc([N+](=O)[O-])cc4)cc3=O)c2-c2ccccc2)cc1	ZINC000100665780	569766354	/nfs/dbraw/zinc/76/63/54/569766354.db2.gz	NZGCXXDOJXDJRK-UHFFFAOYSA-N	-1	0	452.470	4.864	50	5		JJBARM
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc21	ZINC000137767855	569865172	/nfs/dbraw/zinc/86/51/72/569865172.db2.gz	CFLOBRJPPPOLTK-CCDWMCETSA-N	-1	0	465.465	4.799	50	5		JJBARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000229891273	570041811	/nfs/dbraw/zinc/04/18/11/570041811.db2.gz	VFYBMGMVZNNLCW-PWRODBHTSA-N	-1	0	484.295	4.953	50	5		JJBARM
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1OC	ZINC000009349485	194707701	/nfs/dbraw/zinc/70/77/01/194707701.db2.gz	PICGSOVXQJVJQO-CSKARUKUSA-N	-1	0	472.457	4.728	50	5		JJBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000009896617	195017157	/nfs/dbraw/zinc/01/71/57/195017157.db2.gz	JWZUSIAUXCGFQA-QFIPXVFZSA-N	-1	0	465.531	4.681	50	5		JJBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000012604717	195049875	/nfs/dbraw/zinc/04/98/75/195049875.db2.gz	FSFZWKAKIPYXBG-JOCHJYFZSA-N	-1	0	479.558	4.551	50	5		JJBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@](CCc3ccncc3)(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000016293406	524534112	/nfs/dbraw/zinc/53/41/12/524534112.db2.gz	AKUSGWWYFQHBJF-VWLOTQADSA-N	-1	0	458.474	4.583	50	5		JJBARM
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000012372261	526841860	/nfs/dbraw/zinc/84/18/60/526841860.db2.gz	INKFKGQOLPPSKY-OAHLLOKOSA-N	-1	0	464.261	4.811	50	5		JJBARM
O=C([O-])c1cc(Br)ccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O	ZINC000002196450	554089589	/nfs/dbraw/zinc/08/95/89/554089589.db2.gz	ITNAPUHZUNYROU-UHFFFAOYSA-N	-1	0	483.230	4.648	50	5		JJBARM
Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C	ZINC000008871916	554767819	/nfs/dbraw/zinc/76/78/19/554767819.db2.gz	YBDKZJZBKSWIKK-UHFFFAOYSA-N	-1	0	452.872	4.669	50	5		JJBARM
O=C([O-])c1cccc(Nc2cc(N3CCN(c4ccccc4Cl)CC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000009211019	554980733	/nfs/dbraw/zinc/98/07/33/554980733.db2.gz	ZUWLORWGEACNFF-UHFFFAOYSA-N	-1	0	497.895	4.925	50	5		JJBARM
CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000009232725	555005007	/nfs/dbraw/zinc/00/50/07/555005007.db2.gz	PYSQHDWYBFNPHS-PXNMLYILSA-N	-1	0	452.847	4.728	50	5		JJBARM
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000009587025	555398364	/nfs/dbraw/zinc/39/83/64/555398364.db2.gz	NDERVYNTMZYUJU-UHFFFAOYSA-N	-1	0	496.328	4.963	50	5		JJBARM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccc([N+](=O)[O-])cc1	ZINC000013646160	555550547	/nfs/dbraw/zinc/55/05/47/555550547.db2.gz	XRYDYBKKKRWOKG-QXTIUPHPSA-N	-1	0	491.503	4.968	50	5		JJBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccccc2Cl)[nH]1	ZINC000013943431	555654745	/nfs/dbraw/zinc/65/47/45/555654745.db2.gz	LKWZFLQEKYHXCO-FNORWQNLSA-N	-1	0	478.686	4.549	50	5		JJBARM
O=[N+]([O-])c1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1[O-]	ZINC000015016361	555857432	/nfs/dbraw/zinc/85/74/32/555857432.db2.gz	LQJHYOKXLDIOOS-NRFANRHFSA-N	-1	0	459.487	4.948	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1	ZINC000015415777	555907720	/nfs/dbraw/zinc/90/77/20/555907720.db2.gz	HZLSSPHGUCQOSJ-UHFFFAOYSA-N	-1	0	477.498	4.810	50	5		JJBARM
COc1ccc(-c2cc(-c3ccccc3)nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000015671162	555927798	/nfs/dbraw/zinc/92/77/98/555927798.db2.gz	JILPWRUHNYPBBW-UHFFFAOYSA-N	-1	0	462.487	4.528	50	5		JJBARM
Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000015796362	556007170	/nfs/dbraw/zinc/00/71/70/556007170.db2.gz	RDSQXJCYTVZSKD-UHFFFAOYSA-N	-1	0	459.911	4.918	50	5		JJBARM
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])s2)cc1Cl	ZINC000015823041	556011385	/nfs/dbraw/zinc/01/13/85/556011385.db2.gz	FFRXDUPTQJXDPB-QPJJXVBHSA-N	-1	0	455.901	4.586	50	5		JJBARM
O=C(NCCc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012569659	556072869	/nfs/dbraw/zinc/07/28/69/556072869.db2.gz	OBQFXAJDMGTGBX-UHFFFAOYSA-N	-1	0	494.356	4.675	50	5		JJBARM
O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012976714	556169624	/nfs/dbraw/zinc/16/96/24/556169624.db2.gz	RSAOMLBYPHASJN-UHFFFAOYSA-N	-1	0	492.753	4.905	50	5		JJBARM
CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000017028041	556207370	/nfs/dbraw/zinc/20/73/70/556207370.db2.gz	ZGTMASBEDXBCCC-GJZUVCINSA-N	-1	0	470.485	4.828	50	5		JJBARM
O=C([N-]c1c2ccccc2oc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])o1	ZINC000065329810	569674824	/nfs/dbraw/zinc/67/48/24/569674824.db2.gz	JYEARRYPIRIKRS-MRXNPFEDSA-N	-1	0	479.445	4.601	50	5		JJBARM
Cc1ccccc1CN1C(=O)NC(=Cc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccccc2)C1=O	ZINC000035829481	569713021	/nfs/dbraw/zinc/71/30/21/569713021.db2.gz	COQATWNURNTVOU-HAHDFKILSA-N	-1	0	495.495	4.554	50	5		JJBARM
COc1ccc(-c2c(Cc3ccccc3)[n-]n3c2nc(-c2ccc([N+](=O)[O-])cc2)cc3=O)cc1	ZINC000100527019	569763709	/nfs/dbraw/zinc/76/37/09/569763709.db2.gz	WNUWOKDTPXBDST-UHFFFAOYSA-N	-1	0	452.470	4.864	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)[O-]	ZINC000239412480	570051699	/nfs/dbraw/zinc/05/16/99/570051699.db2.gz	STBDFWORRHYEAL-ZNDGRNAPSA-N	-1	0	472.497	4.996	50	5		JJBARM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccc([N+](=O)[O-])cc1	ZINC000239433439	570052270	/nfs/dbraw/zinc/05/22/70/570052270.db2.gz	XRYDYBKKKRWOKG-ZEZDXWPOSA-N	-1	0	491.503	4.968	50	5		JJBARM
O=c1nc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)[n-]c2ccsc21	ZINC000003372475	194306106	/nfs/dbraw/zinc/30/61/06/194306106.db2.gz	QHNIXPPRIOTPCY-UHFFFAOYSA-N	-1	0	453.480	4.663	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)[C@@H]1CCC	ZINC000009487481	520598140	/nfs/dbraw/zinc/59/81/40/520598140.db2.gz	RXGPWAZNXKNXFK-SQJMNOBHSA-N	-1	0	498.967	4.849	50	5		JJBARM
COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)n2)cc1Br	ZINC000020492163	523103069	/nfs/dbraw/zinc/10/30/69/523103069.db2.gz	ZKJKDAARJKISRA-UHFFFAOYSA-N	-1	0	469.251	4.669	50	5		JJBARM
COc1ccc(/C=C2\c3cc([N+](=O)[O-])cc(C(=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	ZINC000008425337	523430556	/nfs/dbraw/zinc/43/05/56/523430556.db2.gz	ACRADYLGVGIICM-GIDUJCDVSA-N	-1	0	463.358	4.687	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)[O-]	ZINC000016184052	525468548	/nfs/dbraw/zinc/46/85/48/525468548.db2.gz	STBDFWORRHYEAL-MHOPESGUSA-N	-1	0	472.497	4.996	50	5		JJBARM
Cc1oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OCc1ccccc1	ZINC000004149944	526782729	/nfs/dbraw/zinc/78/27/29/526782729.db2.gz	GMUXZWLUACOROC-UHFFFAOYSA-N	-1	0	466.471	4.807	50	5		JJBARM
O=C([N-]c1c2ccccc2oc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])o1	ZINC000065329809	527094138	/nfs/dbraw/zinc/09/41/38/527094138.db2.gz	JYEARRYPIRIKRS-INIZCTEOSA-N	-1	0	479.445	4.601	50	5		JJBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000027527805	527541461	/nfs/dbraw/zinc/54/14/61/527541461.db2.gz	AQHKNORVMPSAEO-UHFFFAOYSA-N	-1	0	499.708	4.772	50	5		JJBARM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746265	554324070	/nfs/dbraw/zinc/32/40/70/554324070.db2.gz	YGJLXGZSLPRMFM-HSZRJFAPSA-N	-1	0	454.442	4.741	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)[C@@H]1CCC	ZINC000009187065	554959472	/nfs/dbraw/zinc/95/94/72/554959472.db2.gz	KWNCGDRNOUNLFZ-WNCULLNHSA-N	-1	0	492.576	4.812	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)[C@@H]1CCC	ZINC000009446745	555219905	/nfs/dbraw/zinc/21/99/05/555219905.db2.gz	SGWKIXWUNBOLGB-OFVILXPXSA-N	-1	0	498.967	4.849	50	5		JJBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@@H]3C(C)C)C2=O)cc1	ZINC000015023553	555864284	/nfs/dbraw/zinc/86/42/84/555864284.db2.gz	RZBDQFIMCYYPGM-ATIYNZHBSA-N	-1	0	494.548	4.756	50	5		JJBARM
COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000015840235	556023367	/nfs/dbraw/zinc/02/33/67/556023367.db2.gz	SHAWJCFJWYNRCS-UHFFFAOYSA-N	-1	0	475.910	4.618	50	5		JJBARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000017251543	556247835	/nfs/dbraw/zinc/24/78/35/556247835.db2.gz	KOVCHPAPRMGKPW-UHFFFAOYSA-N	-1	0	485.909	4.744	50	5		JJBARM
COc1ccc(/C=C2/c3cc([N+](=O)[O-])cc(C(=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	ZINC000100352567	569757860	/nfs/dbraw/zinc/75/78/60/569757860.db2.gz	ACRADYLGVGIICM-UUASQNMZSA-N	-1	0	463.358	4.687	50	5		JJBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1	ZINC000245326831	570064954	/nfs/dbraw/zinc/06/49/54/570064954.db2.gz	LVGUGHMMFOGLPS-BKMJKUGQSA-N	-1	0	470.485	4.747	50	5		JJBARM
CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000245327371	570065092	/nfs/dbraw/zinc/06/50/92/570065092.db2.gz	PAKCWQZRQFKPKC-UBFVSLLYSA-N	-1	0	487.512	4.825	50	5		JJBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000001021424	194004361	/nfs/dbraw/zinc/00/43/61/194004361.db2.gz	SLZJHYBHDDKEHS-UHFFFAOYSA-N	-1	0	494.298	4.550	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000001066373	194014402	/nfs/dbraw/zinc/01/44/02/194014402.db2.gz	MVLRHLZMRMWXEM-UHFFFAOYSA-N	-1	0	489.937	4.927	50	5		JJBARM
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000001196957	194067666	/nfs/dbraw/zinc/06/76/66/194067666.db2.gz	IHQNRMOGVHNSEY-UHFFFAOYSA-N	-1	0	466.302	4.955	50	5		JJBARM
COc1ccc(-c2nnc(Sc3c([N+](=O)[O-])cc(C(=O)[O-])cc3[N+](=O)[O-])n2-c2ccccc2)cc1	ZINC000003095333	194225385	/nfs/dbraw/zinc/22/53/85/194225385.db2.gz	VTYJOPUDHPZHNM-UHFFFAOYSA-N	-1	0	493.457	4.609	50	5		JJBARM
CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)cc2)cc1	ZINC000016598708	520920535	/nfs/dbraw/zinc/92/05/35/520920535.db2.gz	QTHDZXZAXRRCAW-UHFFFAOYSA-N	-1	0	498.561	4.503	50	5		JJBARM
C[C@@H](c1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002730089	554314349	/nfs/dbraw/zinc/31/43/49/554314349.db2.gz	DBCNLTWJOZTJIQ-JTQLQIEISA-N	-1	0	465.326	4.547	50	5		JJBARM
O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3Cl)c21	ZINC000008765720	554666502	/nfs/dbraw/zinc/66/65/02/554666502.db2.gz	MGWWICZWBNUHGC-UHFFFAOYSA-N	-1	0	455.275	4.968	50	5		JJBARM
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)[N-]C(=O)N(c1cccc(Cl)c1)C2=O	ZINC000008973836	554845224	/nfs/dbraw/zinc/84/52/24/554845224.db2.gz	NADLGOPYIYUZPN-XMSQKQJNSA-N	-1	0	456.886	4.519	50	5		JJBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008974178	554845842	/nfs/dbraw/zinc/84/58/42/554845842.db2.gz	MZWGTVWFVAWHQR-NLFFAJNJSA-N	-1	0	462.506	4.545	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1	ZINC000009338345	555106341	/nfs/dbraw/zinc/10/63/41/555106341.db2.gz	IQHKZNMTLLNKBQ-UHFFFAOYSA-N	-1	0	475.910	4.618	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000009355979	555120670	/nfs/dbraw/zinc/12/06/70/555120670.db2.gz	OVQKUIULOHADAP-UHFFFAOYSA-N	-1	0	475.910	4.618	50	5		JJBARM
O=C1CCC(c2cccs2)=NN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000009402788	555160505	/nfs/dbraw/zinc/16/05/05/555160505.db2.gz	NFUYOSXNLOBVLM-UHFFFAOYSA-N	-1	0	490.950	4.642	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)[C@@H]1CCC	ZINC000009510505	555300088	/nfs/dbraw/zinc/30/00/88/555300088.db2.gz	QFGSOVFGTYDQQW-WNCULLNHSA-N	-1	0	492.576	4.812	50	5		JJBARM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212991	555706873	/nfs/dbraw/zinc/70/68/73/555706873.db2.gz	OPYHJFHPOYWFBC-JOCHJYFZSA-N	-1	0	458.430	4.504	50	5		JJBARM
COc1cccc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C(C)C)c1OCC(=O)[O-]	ZINC000079477227	569707496	/nfs/dbraw/zinc/70/74/96/569707496.db2.gz	IZHPSWHWXHOHLP-UHFFFAOYSA-N	-1	0	477.473	4.770	50	5		JJBARM
O=C1N(c2ccccc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccc([N+](=O)[O-])cc1	ZINC000102087815	569809615	/nfs/dbraw/zinc/80/96/15/569809615.db2.gz	XRYDYBKKKRWOKG-ALTZYDRJSA-N	-1	0	491.503	4.968	50	5		JJBARM
Cc1cc(C(=O)c2ccc(Br)cc2)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000001196940	194067651	/nfs/dbraw/zinc/06/76/51/194067651.db2.gz	FJNZZCJLQASAFV-UHFFFAOYSA-N	-1	0	475.320	4.698	50	5		JJBARM
O=C([O-])C1CCC(Cn2c(=O)c3sccc3nc2SCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000002932260	194173658	/nfs/dbraw/zinc/17/36/58/194173658.db2.gz	XKUMSCWRICLNPD-UHFFFAOYSA-N	-1	0	459.549	4.550	50	5		JJBARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012659854	195079600	/nfs/dbraw/zinc/07/96/00/195079600.db2.gz	IACPNQUSYNPDTB-UHFFFAOYSA-N	-1	0	485.909	4.744	50	5		JJBARM
O=C1S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000016156673	527101865	/nfs/dbraw/zinc/10/18/65/527101865.db2.gz	SNIANHRLHPTUGH-VGOFMYFVSA-N	-1	0	469.700	4.953	50	5		JJBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2c(F)cccc2Cl)[nH]1	ZINC000033475782	527442290	/nfs/dbraw/zinc/44/22/90/527442290.db2.gz	UPPGMYDDTDLKDT-XQRVVYSFSA-N	-1	0	496.676	4.688	50	5		JJBARM
C[C@H](c1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002730090	554314378	/nfs/dbraw/zinc/31/43/78/554314378.db2.gz	DBCNLTWJOZTJIQ-SNVBAGLBSA-N	-1	0	465.326	4.547	50	5		JJBARM
Cc1nn(Cc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730122	554314699	/nfs/dbraw/zinc/31/46/99/554314699.db2.gz	AGPWOVKEJQXEGH-UHFFFAOYSA-N	-1	0	479.353	4.603	50	5		JJBARM
Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731218	554315569	/nfs/dbraw/zinc/31/55/69/554315569.db2.gz	JKUZQLKPZHJSHG-NSHDSACASA-N	-1	0	479.353	4.856	50	5		JJBARM
CCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2[N+](=O)[O-])cc1	ZINC000006088619	554503369	/nfs/dbraw/zinc/50/33/69/554503369.db2.gz	CLYGZIZPUZUOEX-UHFFFAOYSA-N	-1	0	451.501	4.533	50	5		JJBARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O	ZINC000009089992	554890920	/nfs/dbraw/zinc/89/09/20/554890920.db2.gz	SZIZUGUDGRYZFG-GJZUVCINSA-N	-1	0	470.485	4.747	50	5		JJBARM
O=C(Nc1ccc(SC(F)F)cc1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009097237	554896047	/nfs/dbraw/zinc/89/60/47/554896047.db2.gz	SWTFLYTZGHDRIY-UHFFFAOYSA-N	-1	0	479.486	4.963	50	5		JJBARM
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000009295858	555072042	/nfs/dbraw/zinc/07/20/42/555072042.db2.gz	MIIWNTIRERQLCQ-UUASQNMZSA-N	-1	0	455.275	4.852	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)[C@@H]1CCC	ZINC000009447368	555220243	/nfs/dbraw/zinc/22/02/43/555220243.db2.gz	BNPAIHBRPUINEB-NVQXNPDNSA-N	-1	0	478.549	4.504	50	5		JJBARM
CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1c1ccccc1	ZINC000009510906	555300389	/nfs/dbraw/zinc/30/03/89/555300389.db2.gz	PNYRIVWWRCNSJU-CUBQBAPOSA-N	-1	0	498.539	4.605	50	5		JJBARM
O=[N+]([O-])c1ccc(Oc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000009546250	555341147	/nfs/dbraw/zinc/34/11/47/555341147.db2.gz	DXPNWWAOCOAFHD-UHFFFAOYSA-N	-1	0	456.867	4.785	50	5		JJBARM
O=[N+]([O-])c1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1[O-]	ZINC000015016360	555857399	/nfs/dbraw/zinc/85/73/99/555857399.db2.gz	LQJHYOKXLDIOOS-OAQYLSRUSA-N	-1	0	459.487	4.948	50	5		JJBARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@@H]3C(C)C)C2=O)cc1	ZINC000015023547	555864393	/nfs/dbraw/zinc/86/43/93/555864393.db2.gz	RZBDQFIMCYYPGM-GJZUVCINSA-N	-1	0	494.548	4.756	50	5		JJBARM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000001145664	194047576	/nfs/dbraw/zinc/04/75/76/194047576.db2.gz	NIKIKEGVNGUOEN-UHFFFAOYSA-N	-1	0	452.275	4.994	50	5		JJBARM
CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000003877700	194366042	/nfs/dbraw/zinc/36/60/42/194366042.db2.gz	MOFYMQHEJRYZDT-UHFFFAOYSA-N	-1	0	454.460	4.780	50	5		JJBARM
O=C([O-])c1cc(-c2cc(Br)ccc2F)nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020849752	195230754	/nfs/dbraw/zinc/23/07/54/195230754.db2.gz	AANJHYRSKWLJCF-UHFFFAOYSA-N	-1	0	457.215	4.800	50	5		JJBARM
COc1ccc(Br)cc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccc([N+](=O)[O-])cc2)n1	ZINC000020492169	523486908	/nfs/dbraw/zinc/48/69/08/523486908.db2.gz	IACLLJNLFCQNFD-UHFFFAOYSA-N	-1	0	469.251	4.669	50	5		JJBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccncc3)(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000016293403	524533675	/nfs/dbraw/zinc/53/36/75/524533675.db2.gz	AKUSGWWYFQHBJF-RUZDIDTESA-N	-1	0	458.474	4.583	50	5		JJBARM
Cc1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1	ZINC000002941583	554412646	/nfs/dbraw/zinc/41/26/46/554412646.db2.gz	CFKNJHKLCIPVFD-UHFFFAOYSA-N	-1	0	454.327	4.590	50	5		JJBARM
C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1	ZINC000008778896	554675745	/nfs/dbraw/zinc/67/57/45/554675745.db2.gz	BAMCPSVOFATWIT-CQSZACIVSA-N	-1	0	459.911	4.540	50	5		JJBARM
CCOC(=O)c1c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2oc1-c1ccccc1	ZINC000008871956	554768157	/nfs/dbraw/zinc/76/81/57/554768157.db2.gz	VHCUEKNXLAZSKI-UHFFFAOYSA-N	-1	0	466.471	4.986	50	5		JJBARM
CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)nc1c(C)cc(C)cc1c2SCC(=O)[O-]	ZINC000009329292	555100327	/nfs/dbraw/zinc/10/03/27/555100327.db2.gz	UMAMXGVBNSOMCS-UHFFFAOYSA-N	-1	0	467.012	4.865	50	5		JJBARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000009635315	555342245	/nfs/dbraw/zinc/34/22/45/555342245.db2.gz	VKUBFTAYRZBKPP-UHFFFAOYSA-N	-1	0	469.235	4.576	50	5		JJBARM
CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000015979306	556098813	/nfs/dbraw/zinc/09/88/13/556098813.db2.gz	DWNHEDDGPQBGCU-UHFFFAOYSA-N	-1	0	463.519	4.953	50	5		JJBARM
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000104239001	569843818	/nfs/dbraw/zinc/84/38/18/569843818.db2.gz	LVMPJFPPCZTUQB-UHFFFAOYSA-N	-1	0	482.365	4.624	50	5		JJBARM
Cc1nc(-c2cccnc2)sc1C([O-])=CC(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000138037702	569865599	/nfs/dbraw/zinc/86/55/99/569865599.db2.gz	XGSDPCJLZIDXCQ-UHFFFAOYSA-N	-1	0	479.301	4.509	50	5		JJBARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1C(F)(F)F	ZINC000229948056	570042674	/nfs/dbraw/zinc/04/26/74/570042674.db2.gz	PGIJGILKOFWSEC-PWRODBHTSA-N	-1	0	483.402	4.665	50	5		JJBARM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Br)cc1	ZINC000001196811	194067829	/nfs/dbraw/zinc/06/78/29/194067829.db2.gz	COLDFXVWIPETGP-UHFFFAOYSA-N	-1	0	490.335	4.719	50	5		JJBARM
COc1ccc(Oc2ccc(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)cc2[N+](=O)[O-])cc1	ZINC000009662075	194857603	/nfs/dbraw/zinc/85/76/03/194857603.db2.gz	XXKIKYSTYUREQQ-FOWTUZBSSA-N	-1	0	485.452	4.748	50	5		JJBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)ccc1Cl	ZINC000012659875	195079674	/nfs/dbraw/zinc/07/96/74/195079674.db2.gz	WWIKSMDRXIYSRE-UHFFFAOYSA-N	-1	0	455.883	4.736	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@H]1CCC	ZINC000016973387	520598502	/nfs/dbraw/zinc/59/85/02/520598502.db2.gz	YAWCTUFQIZDGAG-BWKNWUBXSA-N	-1	0	482.512	4.539	50	5		JJBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nn(Cc3c(Cl)cccc3Cl)cc2Cl)cc1	ZINC000002804202	554355286	/nfs/dbraw/zinc/35/52/86/554355286.db2.gz	IICPMAHICHHVPA-UHFFFAOYSA-N	-1	0	461.714	4.601	50	5		JJBARM
O=C(NCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009097094	554895807	/nfs/dbraw/zinc/89/58/07/554895807.db2.gz	SXZNEMNIFKJWQA-UHFFFAOYSA-N	-1	0	480.329	4.632	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)[C@@H]1CCC	ZINC000009510506	555300068	/nfs/dbraw/zinc/30/00/68/555300068.db2.gz	QFGSOVFGTYDQQW-HOFKKMOUSA-N	-1	0	492.576	4.812	50	5		JJBARM
O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])o1	ZINC000013306659	555375343	/nfs/dbraw/zinc/37/53/43/555375343.db2.gz	VVXPTXZBZATYJX-UHFFFAOYSA-N	-1	0	456.263	4.548	50	5		JJBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1	ZINC000022854776	555961547	/nfs/dbraw/zinc/96/15/47/555961547.db2.gz	PWDZXEJUNFYDIV-FQEVSTJZSA-N	-1	0	498.996	4.532	50	5		JJBARM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000015974150	556097317	/nfs/dbraw/zinc/09/73/17/556097317.db2.gz	SNKFEHHUNLAZGK-QFIPXVFZSA-N	-1	0	458.430	4.504	50	5	aggregator	JJBARM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015974174	556097337	/nfs/dbraw/zinc/09/73/37/556097337.db2.gz	NSEKTJBXFWIVMK-QFIPXVFZSA-N	-1	0	458.430	4.504	50	5	aggregator	JJBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000027527544	556288489	/nfs/dbraw/zinc/28/84/89/556288489.db2.gz	GGBWCZKSSBYNIP-UHFFFAOYSA-N	-1	0	455.257	4.662	50	5		JJBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(Br)cc2Br)c([N+](=O)[O-])c1	ZINC000096908933	569743720	/nfs/dbraw/zinc/74/37/20/569743720.db2.gz	FHFGBCWCPLINGR-UHFFFAOYSA-N	-1	0	462.010	4.680	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)[C@H]1CCC	ZINC000102779638	569823667	/nfs/dbraw/zinc/82/36/67/569823667.db2.gz	AEFDHDCVJCRGQK-YIXXDRMTSA-N	-1	0	492.576	4.812	50	5		JJBARM
COc1ccc(S(=O)(=O)c2c([O-])c(C)cc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1	ZINC000001050206	194009964	/nfs/dbraw/zinc/00/99/64/194009964.db2.gz	NHGFNHLMRNXQLI-UHFFFAOYSA-N	-1	0	484.530	4.826	50	5		JJBARM
O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000003200372	194238202	/nfs/dbraw/zinc/23/82/02/194238202.db2.gz	QVLGTYPRMBAMDE-UHFFFAOYSA-N	-1	0	452.901	4.755	50	5		JJBARM
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)cc(Br)c1[O-]	ZINC000004014127	194369758	/nfs/dbraw/zinc/36/97/58/194369758.db2.gz	QHDOMNZCLXHXPJ-UHFFFAOYSA-N	-1	0	450.470	4.731	50	5		JJBARM
O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000006166545	194416528	/nfs/dbraw/zinc/41/65/28/194416528.db2.gz	HJKZFOOVCDYYMX-UHFFFAOYSA-N	-1	0	455.883	4.736	50	5		JJBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000009896616	195017144	/nfs/dbraw/zinc/01/71/44/195017144.db2.gz	JWZUSIAUXCGFQA-JOCHJYFZSA-N	-1	0	465.531	4.681	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)[C@@H]1CCC	ZINC000009487483	520599643	/nfs/dbraw/zinc/59/96/43/520599643.db2.gz	RXGPWAZNXKNXFK-OFVILXPXSA-N	-1	0	498.967	4.849	50	5		JJBARM
CCn1cc([N+](=O)[O-])c(-c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1	ZINC000002730823	523484597	/nfs/dbraw/zinc/48/45/97/523484597.db2.gz	LYGDHZVXQWPINP-UHFFFAOYSA-N	-1	0	465.326	4.625	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000016401010	525470563	/nfs/dbraw/zinc/47/05/63/525470563.db2.gz	VTIVWWWLYFVXOI-UHFFFAOYSA-N	-1	0	475.910	4.618	50	5		JJBARM
C[C@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000022575362	525989500	/nfs/dbraw/zinc/98/95/00/525989500.db2.gz	JQCZTZXFADVXJX-AWEZNQCLSA-N	-1	0	465.487	4.665	50	5		JJBARM
Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730981	554314988	/nfs/dbraw/zinc/31/49/88/554314988.db2.gz	DVHMZZVEMMCUDA-CYBMUJFWSA-N	-1	0	458.935	4.511	50	5		JJBARM
Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731219	554315580	/nfs/dbraw/zinc/31/55/80/554315580.db2.gz	JKUZQLKPZHJSHG-LLVKDONJSA-N	-1	0	479.353	4.856	50	5		JJBARM
CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc21	ZINC000008833772	554731317	/nfs/dbraw/zinc/73/13/17/554731317.db2.gz	PAGZAAOHGOKJET-UHFFFAOYSA-N	-1	0	484.486	4.789	50	5		JJBARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O	ZINC000009089991	554891000	/nfs/dbraw/zinc/89/10/00/554891000.db2.gz	SZIZUGUDGRYZFG-ATIYNZHBSA-N	-1	0	470.485	4.747	50	5		JJBARM
Cc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009711924	555435051	/nfs/dbraw/zinc/43/50/51/555435051.db2.gz	IKTGTZXBMZJOLF-UHFFFAOYSA-N	-1	0	473.938	4.630	50	5		JJBARM
Cc1oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2c1C(=O)OC(C)C	ZINC000015767642	555986126	/nfs/dbraw/zinc/98/61/26/555986126.db2.gz	PGIGLIHDOLEKJC-UHFFFAOYSA-N	-1	0	452.872	4.669	50	5		JJBARM
CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)nc1c(C)ccc(C)c1c2SCC(=O)[O-]	ZINC000017248657	556247592	/nfs/dbraw/zinc/24/75/92/556247592.db2.gz	QZWQJYNQNLEORM-UHFFFAOYSA-N	-1	0	467.012	4.865	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)[C@H]1CCC	ZINC000102780224	569823790	/nfs/dbraw/zinc/82/37/90/569823790.db2.gz	RXGPWAZNXKNXFK-PXDATVDWSA-N	-1	0	498.967	4.849	50	5		JJBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cc(Br)ccc2Br)c([N+](=O)[O-])c1	ZINC000104228806	569843583	/nfs/dbraw/zinc/84/35/83/569843583.db2.gz	UNSGMGBIJAYWQS-UHFFFAOYSA-N	-1	0	462.010	4.680	50	5		JJBARM
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1C(F)(F)F	ZINC000137769867	569865127	/nfs/dbraw/zinc/86/51/27/569865127.db2.gz	PGIJGILKOFWSEC-PCCBWWKXSA-N	-1	0	483.402	4.665	50	5		JJBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000003237760	194247672	/nfs/dbraw/zinc/24/76/72/194247672.db2.gz	YKNSLLHYIVPHRH-UHFFFAOYSA-N	-1	0	499.526	4.520	50	5		JJBARM
COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000012659868	195079662	/nfs/dbraw/zinc/07/96/62/195079662.db2.gz	JRNWZFJMIJUGAX-UHFFFAOYSA-N	-1	0	485.909	4.744	50	5		JJBARM
CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000016778369	521140898	/nfs/dbraw/zinc/14/08/98/521140898.db2.gz	HSWQVTNVHHWVLO-UHFFFAOYSA-N	-1	0	479.518	4.790	50	5		JJBARM
CCCc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OCC	ZINC000004144361	521601029	/nfs/dbraw/zinc/60/10/29/521601029.db2.gz	ZLKGTDAQXQXEBO-UHFFFAOYSA-N	-1	0	466.899	4.924	50	5		JJBARM
COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc21	ZINC000004149951	521758348	/nfs/dbraw/zinc/75/83/48/521758348.db2.gz	PKQRVCQBURJZFU-UHFFFAOYSA-N	-1	0	454.460	4.698	50	5		JJBARM
O=c1[nH]c(C=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000016361767	527434669	/nfs/dbraw/zinc/43/46/69/527434669.db2.gz	VACKMYIHWDTYBD-VURMDHGXSA-N	-1	0	478.686	4.549	50	5		JJBARM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751175	554326443	/nfs/dbraw/zinc/32/64/43/554326443.db2.gz	ONJNAIYRFSGJRO-HSZRJFAPSA-N	-1	0	454.442	4.741	50	5		JJBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974644	554846136	/nfs/dbraw/zinc/84/61/36/554846136.db2.gz	GRLANHLPWDMAJR-AUSIDOKSSA-N	-1	0	468.897	4.663	50	5		JJBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3ncccc3c2)c1	ZINC000008997049	554858651	/nfs/dbraw/zinc/85/86/51/554858651.db2.gz	LSSAQFLIPNWAND-UHFFFAOYSA-N	-1	0	472.486	4.631	50	5		JJBARM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)N1CCCc2ccccc21	ZINC000009096959	554895543	/nfs/dbraw/zinc/89/55/43/554895543.db2.gz	PPWGTWZWFZBGHD-UHFFFAOYSA-N	-1	0	471.922	4.642	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)[C@@H]1CCC	ZINC000009447362	555220256	/nfs/dbraw/zinc/22/02/56/555220256.db2.gz	BNPAIHBRPUINEB-BKMJKUGQSA-N	-1	0	478.549	4.504	50	5		JJBARM
COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1[O-]	ZINC000019843154	555509590	/nfs/dbraw/zinc/50/95/90/555509590.db2.gz	MPHGOCBNRDVBTO-QFIPXVFZSA-N	-1	0	489.513	4.956	50	5		JJBARM
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)[O-])cc1	ZINC000012377807	555966519	/nfs/dbraw/zinc/96/65/19/555966519.db2.gz	UCKBQAXLKOQACE-KAMYIIQDSA-N	-1	0	454.442	4.798	50	5		JJBARM
COc1cc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCC(=O)[O-]	ZINC000079495401	569707654	/nfs/dbraw/zinc/70/76/54/569707654.db2.gz	NLCZHSSUAJNWRR-UHFFFAOYSA-N	-1	0	477.473	4.770	50	5		JJBARM
CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000036445138	569775934	/nfs/dbraw/zinc/77/59/34/569775934.db2.gz	RZFJIJXGLXBDBJ-UHFFFAOYSA-N	-1	0	491.525	4.527	50	5		JJBARM
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl	ZINC000101342829	569793602	/nfs/dbraw/zinc/79/36/02/569793602.db2.gz	WMNITMGIFJDFOY-FPOVZHCZSA-N	-1	0	481.295	4.684	50	5		JJBARM
O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000215749035	569877691	/nfs/dbraw/zinc/87/76/91/569877691.db2.gz	YGCDFWOWPPHNQN-OQLLNIDSSA-N	-1	0	473.272	4.663	50	5		JJBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1	ZINC000001196321	194067446	/nfs/dbraw/zinc/06/74/46/194067446.db2.gz	YMVUSCPQMYDTHU-UHFFFAOYSA-N	-1	0	487.342	4.535	50	5		JJBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2)c1	ZINC000001197042	194067711	/nfs/dbraw/zinc/06/77/11/194067711.db2.gz	HOKPNTCLVDXTNN-UHFFFAOYSA-N	-1	0	494.298	4.550	50	5		JJBARM
CN(c1ccccc1)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1[N+](=O)[O-]	ZINC000009670156	194871368	/nfs/dbraw/zinc/87/13/68/194871368.db2.gz	KBFXETNVFYWTSP-GHRIWEEISA-N	-1	0	468.469	4.715	50	5		JJBARM
COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc21	ZINC000004149942	521756656	/nfs/dbraw/zinc/75/66/56/521756656.db2.gz	DTPAEORJBDQDBB-UHFFFAOYSA-N	-1	0	454.460	4.698	50	5		JJBARM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000033720003	524190405	/nfs/dbraw/zinc/19/04/05/524190405.db2.gz	MFVMWYPGZRIXOW-NHDPSOOVSA-N	-1	0	492.465	4.781	50	5		JJBARM
COc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1[N+](=O)[O-]	ZINC000004149981	525080781	/nfs/dbraw/zinc/08/07/81/525080781.db2.gz	OZWRWQUMARQCKZ-UHFFFAOYSA-N	-1	0	466.471	4.823	50	5		JJBARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@](CCc2ccncc2)(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000016293670	525221169	/nfs/dbraw/zinc/22/11/69/525221169.db2.gz	ITAFIELWQRRAIS-VWLOTQADSA-N	-1	0	458.474	4.583	50	5		JJBARM
O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCc3ccccc3C2)cc1	ZINC000023666895	527377947	/nfs/dbraw/zinc/37/79/47/527377947.db2.gz	LWLHJWAHCNAFLN-FQEVSTJZSA-N	-1	0	473.514	4.812	50	5		JJBARM
Cc1nn(C[C@@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002732676	554316693	/nfs/dbraw/zinc/31/66/93/554316693.db2.gz	GPTOORLYOWKIMC-GFCCVEGCSA-N	-1	0	472.962	4.705	50	5		JJBARM
C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1	ZINC000008778895	554675724	/nfs/dbraw/zinc/67/57/24/554675724.db2.gz	BAMCPSVOFATWIT-AWEZNQCLSA-N	-1	0	459.911	4.540	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1CCC	ZINC000009452813	555224583	/nfs/dbraw/zinc/22/45/83/555224583.db2.gz	AEFDHDCVJCRGQK-WNCULLNHSA-N	-1	0	492.576	4.812	50	5		JJBARM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015974175	556097601	/nfs/dbraw/zinc/09/76/01/556097601.db2.gz	NSEKTJBXFWIVMK-JOCHJYFZSA-N	-1	0	458.430	4.504	50	5	aggregator	JJBARM
O=C1C([O-])=C(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1	ZINC000024192971	556126081	/nfs/dbraw/zinc/12/60/81/556126081.db2.gz	IRPLXDUXCHFVBI-IBGZPJMESA-N	-1	0	488.880	4.719	50	5		JJBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)[nH]1	ZINC000032687728	556470746	/nfs/dbraw/zinc/47/07/46/556470746.db2.gz	ZHXQKKSSPPXDNG-VURMDHGXSA-N	-1	0	457.273	4.864	50	5		JJBARM
C[C@H](c1ccco1)N(C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1	ZINC000008685632	562952522	/nfs/dbraw/zinc/95/25/22/562952522.db2.gz	GMMMFKVWWVXRSJ-QGZVFWFLSA-N	-1	0	492.513	4.792	50	5		JJBARM
Cn1cnnc1Sc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000009562176	562956649	/nfs/dbraw/zinc/95/66/49/562956649.db2.gz	NRNKMILWEBZSMH-GXDHUFHOSA-N	-1	0	467.532	4.890	50	5		JJBARM
O=C1N(c2cccc([N+](=O)[O-])c2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000102705875	569816335	/nfs/dbraw/zinc/81/63/35/569816335.db2.gz	RYAHVHBGHKSZTJ-UWPQIUOOSA-N	-1	0	491.503	4.968	50	5		JJBARM
O=C1S/C(=C\c2cc(Cl)c([O-])c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000002992924	194196975	/nfs/dbraw/zinc/19/69/75/194196975.db2.gz	SNIANHRLHPTUGH-AUWJEWJLSA-N	-1	0	469.700	4.953	50	5		JJBARM
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(OC)c(OC)c3C(=O)[O-])C2)cc1	ZINC000006924921	194436514	/nfs/dbraw/zinc/43/65/14/194436514.db2.gz	NNXSVNJRGYRROP-OAQYLSRUSA-N	-1	0	477.473	4.675	50	5		JJBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000012604720	195049847	/nfs/dbraw/zinc/04/98/47/195049847.db2.gz	FSFZWKAKIPYXBG-QFIPXVFZSA-N	-1	0	479.558	4.551	50	5		JJBARM
Cc1cccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)[n-]c3-c3ccccc3)C2=O)c1	ZINC000096422940	130079686	/nfs/dbraw/zinc/07/96/86/130079686.db2.gz	DPGBOEZRGBOOHY-HAHDFKILSA-N	-1	0	495.495	4.554	50	5		JJBARM
CCCc1oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2c1C(=O)OCC	ZINC000004144362	521599760	/nfs/dbraw/zinc/59/97/60/521599760.db2.gz	RJVUZSNREINYGU-UHFFFAOYSA-N	-1	0	466.899	4.924	50	5		JJBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000027527576	527541497	/nfs/dbraw/zinc/54/14/97/527541497.db2.gz	XRTHYYPILQGTFC-UHFFFAOYSA-N	-1	0	455.257	4.662	50	5		JJBARM
COc1ccc(NC2=C(CC(=O)[O-])[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000002360445	554165588	/nfs/dbraw/zinc/16/55/88/554165588.db2.gz	VGVHDIAQCFSRSU-RUZDIDTESA-N	-1	0	489.484	4.541	50	5		JJBARM
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])sc(C)c1-c1ccccc1	ZINC000002451693	554218851	/nfs/dbraw/zinc/21/88/51/554218851.db2.gz	ZWECQVDSARCQBY-UHFFFAOYSA-N	-1	0	454.460	4.759	50	5		JJBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002731013	554315247	/nfs/dbraw/zinc/31/52/47/554315247.db2.gz	KOYMMJHNMSBALW-UHFFFAOYSA-N	-1	0	493.380	4.798	50	5		JJBARM
Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002731387	554315537	/nfs/dbraw/zinc/31/55/37/554315537.db2.gz	BUWLCIJUZINXEV-GFCCVEGCSA-N	-1	0	476.925	4.650	50	5		JJBARM
O=[N+]([O-])c1cnn(Cc2ccc(-c3nnc([N-]c4ccn(Cc5ccccc5Cl)n4)s3)o2)c1	ZINC000002732203	554316393	/nfs/dbraw/zinc/31/63/93/554316393.db2.gz	NUURLLSRCGWNNX-UHFFFAOYSA-N	-1	0	482.913	4.593	50	5		JJBARM
Cc1nn(C[C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002732677	554316663	/nfs/dbraw/zinc/31/66/63/554316663.db2.gz	GPTOORLYOWKIMC-LBPRGKRZSA-N	-1	0	472.962	4.705	50	5		JJBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-]	ZINC000002980507	554417469	/nfs/dbraw/zinc/41/74/69/554417469.db2.gz	OGXOEDJUIUVNLB-UHFFFAOYSA-N	-1	0	465.409	4.667	50	5		JJBARM
CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000008974117	554845514	/nfs/dbraw/zinc/84/55/14/554845514.db2.gz	ZGTMASBEDXBCCC-BKMJKUGQSA-N	-1	0	470.485	4.828	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)[C@@H]1CCC	ZINC000009015686	554866029	/nfs/dbraw/zinc/86/60/29/554866029.db2.gz	QTRGXRJXNDGICW-NVQXNPDNSA-N	-1	0	478.549	4.708	50	5		JJBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)[C@@H]1CCC	ZINC000009187837	554960065	/nfs/dbraw/zinc/96/00/65/554960065.db2.gz	KWNCGDRNOUNLFZ-HOFKKMOUSA-N	-1	0	492.576	4.812	50	5		JJBARM
COc1cccc(-n2c3nc(SCC(=O)[O-])n4c5ccccc5nc4c3sc2=S)c1	ZINC000009474081	555256320	/nfs/dbraw/zinc/25/63/20/555256320.db2.gz	CHFXEUAFIFQJOI-UHFFFAOYSA-N	-1	0	454.558	4.803	50	5		JJBARM
CCOC(=O)c1ccc(-n2c3nc(SCC(=O)[O-])n4c5ccccc5nc4c3sc2=S)cc1	ZINC000009474075	555256373	/nfs/dbraw/zinc/25/63/73/555256373.db2.gz	ONEDSQBLRCKVTK-UHFFFAOYSA-N	-1	0	496.595	4.971	50	5		JJBARM
COc1ccc(Br)cc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2cccc([N+](=O)[O-])c2)n1	ZINC000020135876	555660442	/nfs/dbraw/zinc/66/04/42/555660442.db2.gz	DESUIMWTFFBXOU-UHFFFAOYSA-N	-1	0	469.251	4.669	50	5		JJBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1	ZINC000012544899	556021008	/nfs/dbraw/zinc/02/10/08/556021008.db2.gz	QWWLLCBPVNADBP-UHFFFAOYSA-N	-1	0	483.546	4.954	50	5		JJBARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)c1	ZINC000016975885	556193881	/nfs/dbraw/zinc/19/38/81/556193881.db2.gz	NYFPBKFQGJVFRA-NVQXNPDNSA-N	-1	0	470.485	4.747	50	5		JJBARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000016995928	556198937	/nfs/dbraw/zinc/19/89/37/556198937.db2.gz	SZIZUGUDGRYZFG-NVQXNPDNSA-N	-1	0	470.485	4.747	50	5		JJBARM
COc1ccc2c(c1)oc1cc(=O)ccc-1c2-c1ccccc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC000025781995	556234359	/nfs/dbraw/zinc/23/43/59/556234359.db2.gz	DELBHVBSPUGXDG-UHFFFAOYSA-N	-1	0	457.482	4.510	50	5		JJBARM
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc2[n-]cnn2c(=O)c1[N+](=O)[O-]	ZINC000035062491	569674162	/nfs/dbraw/zinc/67/41/62/569674162.db2.gz	HRNBWLWZQMEDFS-HYXAFXHYSA-N	-1	0	461.522	4.775	50	5		JJBARM